2-(ethylsulfanylmethyl)-1,3-dithiepane

C8H16S3 — CID 12866628

IUPAC2-(ethylsulfanylmethyl)-1,3-dithiepane
SMILESCCSCC1SCCCCS1
InChIInChI=1S/C8H16S3/c1-2-9-7-8-10-5-3-4-6-11-8/h8H,2-7H2,1H3
InChIKeyVOTLSIUMQVVSGO-UHFFFAOYSA-N
MW208.42 g/mol
LogP3.33
Rot. Bonds3

About 2-(ethylsulfanylmethyl)-1,3-dithiepane

2-(ethylsulfanylmethyl)-1,3-dithiepane (PubChem CID 12866628) has the molecular formula C8H16S3 and a molecular weight of 208.42 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-1,3-dithiepane.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-1,3-dithiepane
PubChem CID12866628
Molecular FormulaC8H16S3
Molecular Weight208.42 g/mol
Exact Mass208.04
IUPAC Name2-(ethylsulfanylmethyl)-1,3-dithiepane
SMILESCCSCC1SCCCCS1
InChIInChI=1S/C8H16S3/c1-2-9-7-8-10-5-3-4-6-11-8/h8H,2-7H2,1H3
InChIKeyVOTLSIUMQVVSGO-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,8-Dithiadecane
CID 294545
4,7-Dithiadecane
CID 294546
Propyl 1-(propylthio)propyl disulfide
CID 528859
Butyl 1-(methylthio)propyl disulfide
CID 101415651
Ethyl 1-(ethylthio)propyl disulfide
CID 101413778
1-(Propylthio)propyl methyl disulfide
CID 528858
Butane, 1,1'-(ethylidenebis(thio))bis-
CID 262495
3,3,7,7-Tetramethyl-1,2,5-trithiepane
CID 15864417
3,3,6,6-Tetramethyl-1,2,5-trithiepane
CID 16664239
4,4,6,6-Tetramethyl-1,2,5-trithiepane
CID 16664241
5,7-Dithiaundecane
CID 262496
4,9-Dithiadodecane
CID 294547

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-1,3-dithiepane?
The IUPAC name of 2-(ethylsulfanylmethyl)-1,3-dithiepane (CID 12866628) is 2-(ethylsulfanylmethyl)-1,3-dithiepane.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-1,3-dithiepane?
The canonical SMILES for 2-(ethylsulfanylmethyl)-1,3-dithiepane is CCSCC1SCCCCS1.
What is the InChIKey of 2-(ethylsulfanylmethyl)-1,3-dithiepane?
The InChIKey is VOTLSIUMQVVSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S3/c1-2-9-7-8-10-5-3-4-6-11-8/h8H,2-7H2,1H3.
What are the key properties of 2-(ethylsulfanylmethyl)-1,3-dithiepane?
2-(ethylsulfanylmethyl)-1,3-dithiepane has a molecular weight of 208.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-1,3-dithiepane is sourced from PubChem (CID 12866628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).